6-chloranyl-4-oxidanylidene-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]chromene-2-carboxamide

Systemtic Name: 6-chloranyl-4-oxidanylidene-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]chromene-2-carboxamide Openeye Name: 6-chloro-4-oxo-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]chromene-2-carboxamide CAS Name: 6-chloro-4-oxo-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-1-benzopyran-2-carboxamide IUPAC Name: 6-chloro-4-oxo-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]chromene-2-carboxamide Traditional Name: 6-chloro-4-keto-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]chromene-2-carboxamide Formula: C23H24ClN2O3+ MolecularWeight: 411.90126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C23H23ClN2O3/c24-18-8-9-21-19(12-18)20(27)13-22(29-21)23(28)25-14-16-4-6-17(7-5-16)15-26-10-2-1-3-11-26/h4-9,12-13H,1-3,10-11,14-15H2,(H,25,28)/p+1